ChemSpider 2D Image | Methyl 2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-isopropyl-1,3-thiazole-4-carboxylate | C18H22N6O3S

Methyl 2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-isopropyl-1,3-thiazole-4-carboxylate

  • Molecular FormulaC18H22N6O3S
  • Average mass402.471 Da
  • Monoisotopic mass402.147400 Da
  • ChemSpider ID29348045

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[3-(5,7-Diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-isopropyl-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-oxopropyl]amino]-5-(1-methylethyl)-, methyl ester [ACD/Index Name]
Methyl 2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-isopropyl-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-isopropyl-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
1401600-83-6 [RN]
2-[3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propionylamino]-5-isopropyl-thiazole-4-carboxylic acid methyl ester
methyl (2Z)-2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]imino}-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
methyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
methyl 2-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.64
ACD/KOC (pH 5.5): 213.93
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.65
ACD/KOC (pH 7.4): 213.98
Polar Surface Area: 136 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 282.3±7.0 cm3

Click to predict properties on the Chemicalize site






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